ethyl (4S,5S,6S)-6-methyl-4-(5-methylthiophen-2-yl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: ethyl (4S,5S,6S)-6-methyl-4-(5-methylthiophen-2-yl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl (4S,5S,6S)-6-hydroxy-6-methyl-4-(5-methyl-2-thienyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5S,6S)-6-hydroxy-6-methyl-4-(5-methyl-2-thiophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6S)-6-hydroxy-6-methyl-4-(5-methylthiophen-2-yl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5S,6S)-6-hydroxy-3-keto-6-methyl-4-(5-methyl-2-thienyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC=C(S3)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C2=C(C[C@]1(C)O)NNC2=O)C3=CC=C(S3)C

InChI

InChI=1S/C16H20N2O4S/c1-4-22-15(20)13-12(10-6-5-8(2)23-10)11-9(7-16(13,3)21)17-18-14(11)19/h5-6,12-13,21H,4,7H2,1-3H3,(H2,17,18,19)/t12-,13-,16+/m1/s1